HRID1497492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1ccc(C(=O)Oc2ccc(CCCC(=O)OCc3ccccc3)cc2)cc1

HCID178454288

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1ccc(C(=O)Oc2ccc(CCCC(=O)O)cc2)cc1

HCID178454287

未命名化合物

收率 96.7%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID178418390

未命名化合物

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

To a solution of 4-[4-(benzyloxy)-4-oxobutyl]phenyl 4-[N′,N″-bis(tert-butoxycarbonyl)carbamimidamido]benzoate (3.98 g) in tetrahydrofuran (40.0 mL) was added 10% palladium-carbon (398 mg), followed by stirring at room temperature for 3 hours under a hydrogen pressure of 3 atm. The reaction suspension was filtered through Celite, and then the filtrate was concentrated under reduced pressure to obtain 4-[4-({4-[N′,N″-bis(tert-butoxycarbonyl)carbamimidamido]benzoyl}oxy)phenyl]butanoic acid (3.30 g).

WORKUP

后处理

filtrationThe reaction suspension was filtered through Celite
concentrationthe filtrate was concentrated under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ba0f0b1b46f4bd8acd604ed3f4ccdc3
来源数据集: uspto-grants-2015_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09199927B2
来源说明: uspto-grants-2015_12

反应 SMILES

[C:1]([O:5][C:6]([NH:8][C:9](=[N:39][C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])[NH:10][C:11]1[CH:38]=[CH:37][C:14]([C:15]([O:17][C:18]2[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][CH2:26][C:27]([O:29]CC3C=CC=CC=3)=[O:28])=[CH:20][CH:19]=2)=[O:16])=[CH:13][CH:12]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2]>O1CCCC1.[C].[Pd]>[C:43]([O:42][C:40]([NH:39][C:9](=[N:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[NH:10][C:11]1[CH:12]=[CH:13][C:14]([C:15]([O:17][C:18]2[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][CH2:26][C:27]([OH:29])=[O:28])=[CH:20][CH:19]=2)=[O:16])=[CH:37][CH:38]=1)=[O:41])([CH3:46])([CH3:45])[CH3:44]